1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea

C16H26N2O3 — CID 111474234

IUPAC1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-6-14(19)11-17-16(20)18-13-7-9-15(10-8-13)21-12(3)5-2/h7-10,12,14,19H,4-6,11H2,1-3H3,(H2,17,18,20)
InChIKeyPKBKEQXHULGMQR-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.15
Rot. Bonds8

About 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea

1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea (PubChem CID 111474234) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
PubChem CID111474234
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-6-14(19)11-17-16(20)18-13-7-9-15(10-8-13)21-12(3)5-2/h7-10,12,14,19H,4-6,11H2,1-3H3,(H2,17,18,20)
InChIKeyPKBKEQXHULGMQR-UHFFFAOYSA-N
XLogP3.15
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
1-(2-hydroxypentyl)-3-pyridin-4-ylurea
CID 111119369
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
1-[4-(cyanomethyl)phenyl]-3-(2-hydroxypentyl)urea
CID 111431240
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
1-[4-[(2S)-butan-2-yl]oxyphenyl]-3-[(2-methyl-1,3-dioxan-2-yl)methyl]urea
CID 129402063
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
3-(4-butan-2-yloxyanilino)propane-1,2-diol
CID 168593444
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea (CID 111474234) is 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)Nc1ccc(OC(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea?
The InChIKey is PKBKEQXHULGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-6-14(19)11-17-16(20)18-13-7-9-15(10-8-13)21-12(3)5-2/h7-10,12,14,19H,4-6,11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea?
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea has a molecular weight of 294.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111474234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).